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	hartrees
Energy at 0K	-77.139410
Energy at 298.15K	-77.139404
HF Energy	-76.838853
Nuclear repulsion energy	24.584414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3520	3520
2	Σ_g	1992	1992
3	Σ_u	3426	3426
4	Π_g	523	523
4	Π_g	522	522
5	Π_u	753	753
5	Π_u	753	753

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.607
C2	0.000	0.000	-0.607
H3	0.000	0.000	1.674
H4	0.000	0.000	-1.674

	C1	C2	H3	H4
C1		1.2143	1.0670	2.2813
C2	1.2143		2.2813	1.0670
H3	1.0670	2.2813		3.3483
H4	2.2813	1.0670	3.3483

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: QCISD(TQ)/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C2H2 (Acetylene)

using model chemistry: QCISD(TQ)/6-311G**

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)